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- W1567029295 abstract "A partial optimisation of the geometry in cinnoline is reported and calculations by the INDO and CNDO methods are made of the electron distribution in cinnoline and its 3-and 4-monomethyl and 3,4-dimethyl derivatives and their 1- and 2- protonated species. It is concluded that there is little significant difference in electron density at N-1 and N-2 in the neutral compounds, while preferential 2- protonation arises from a more favourable electronic energy for 1-protonation being offset by greater nuclear repulsion." @default.
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- W1567029295 date "1971-01-01" @default.
- W1567029295 modified "2023-09-26" @default.
- W1567029295 title "Alkylation of nitrogen heterocycles—II" @default.
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- W1567029295 doi "https://doi.org/10.1016/s0040-4020(01)98084-6" @default.
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